2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol

C16H25NO2 — CID 103498532

IUPAC2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
SMILESCC(O)c1ccc(N2CCC(C(C)C)CC2)cc1O
InChIInChI=1S/C16H25NO2/c1-11(2)13-6-8-17(9-7-13)14-4-5-15(12(3)18)16(19)10-14/h4-5,10-13,18-19H,6-9H2,1-3H3
InChIKeyLGPDLJAMNVQNAY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol

2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol (PubChem CID 103498532) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
PubChem CID103498532
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
SMILESCC(O)c1ccc(N2CCC(C(C)C)CC2)cc1O
InChIInChI=1S/C16H25NO2/c1-11(2)13-6-8-17(9-7-13)14-4-5-15(12(3)18)16(19)10-14/h4-5,10-13,18-19H,6-9H2,1-3H3
InChIKeyLGPDLJAMNVQNAY-UHFFFAOYSA-N
XLogP3.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
CID 79603248
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]-4-methylazepan-4-ol
CID 107405265
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine
CID 176934197
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol (CID 103498532) is 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol is CC(O)c1ccc(N2CCC(C(C)C)CC2)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The InChIKey is LGPDLJAMNVQNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)13-6-8-17(9-7-13)14-4-5-15(12(3)18)16(19)10-14/h4-5,10-13,18-19H,6-9H2,1-3H3.
What are the key properties of 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol?
2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol has a molecular weight of 263.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol is sourced from PubChem (CID 103498532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).